General Information of the Compound
| Compound ID |
CP0258310
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| Compound Name |
3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
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| Formula |
C22H21N7
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| Molecular Weight |
383.459
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| Canonical SMILES |
CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(c3)-c3cnn(C)c3)c2c1
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| InChI |
InChI=1S/C22H21N7/c1-14(2)29-13-23-27-22(29)17-7-8-20-19(10-17)21(26-25-20)16-6-4-5-15(9-16)18-11-24-28(3)12-18/h4-14H,1-3H3,(H,25,26)
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| InChIKey |
YJYYPFKEIKWOFZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound